(2S)-3-methyl-2-[(8-pyridin-4-yldibenzothiophen-3-yl)sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(8-pyridin-4-yldibenzothiophen-3-yl)sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[8-(4-pyridyl)dibenzothiophen-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[(8-pyridin-4-yl-3-dibenzothiophenyl)sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(8-pyridin-4-yldibenzothiophen-3-yl)sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[8-(4-pyridyl)dibenzothiophen-3-yl]sulfonylamino]butyric acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=CC(=C3)C4=CC=NC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=CC(=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H20N2O4S2/c1-13(2)21(22(25)26)24-30(27,28)16-4-5-17-18-11-15(14-7-9-23-10-8-14)3-6-19(18)29-20(17)12-16/h3-13,21,24H,1-2H3,(H,25,26)/t21-/m0/s1